"3" . "COC1=CC2=C(NC=N\\C2=N/C2=CC=C(Br)C=C2F)C=C1OCC1CCN(C)CC1" . "0" . "48.28" . "1.18e+01 g/l" . "2.89" . "3.57" . "-1.7" . "26.84" . "InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+" . "3.18e-03 g/l" . "2.73" . "ChemAxon" . "ALOGPS" . "[H][C@](N)(CC1=CC=C(C=C1)C(=O)C1=CC=CC=C1)C(O)=O" . "[H][C@@](CC)(CO)NC1=NC2=C(N=CN2C(C)C)C(OCC2=CC=CC=C2)=N1" . "1" .